Chand, Apramita published the artcilePressure effects on solvation structure and dynamics in mixture of cis and trans-N-methylformamide in a protic and aprotic polar solvent, Safety of N-Methylformamide, the main research area is cis trans methylformamide pressure polar solvent mol dynamics simulation.
We have explored the effects of variation of pressure on solvation structure, dynamics and hydrogen bonding properties in mixture of cis and trans-N-methylformamide in protic/aprotic medium through classical mol. dynamics simulations. Hydrogen bonding preferences of ONMF-HNMF vary with cis-cis/trans-trans/cis-trans/trans-cis combinations but are overall better in DMSO solution than in aqueous solution In both water/DMSO solutions, at XNMF = 0.5, the Ocis-Hcis hydrogen bonding probability is enhanced which is boosted at higher pressures. Higher pressures may induce hydrogen bond contacts at intermediate pressures due to close packing but distortion in hydrogen bond network renders such hydrogen bonds less stable. A cis-NMF mols. prefer hydrogen bonding interactions with oxygen of DMSO while trans-NMF mols. engage their Nmethyl groups for hydrophobic interactions with DMSO Me groups. The disparity between cis and trans-NMF dipole rotations becomes more apparent in aqueous medium at higher pressures and higher NMF concentrations while difference in diffusion coefficients is significant at lower pressures. Higher lifetimes of ODMSO···Hcis hydrogen bonds may be responsible for longer dipole relaxation rates of cis-NMF in DMSO solution as pressure increases.
Journal of the Indian Chemical Society published new progress about Aqueous solutions. 123-39-7 belongs to class amides-buliding-blocks, name is N-Methylformamide, and the molecular formula is C2H5NO, Safety of N-Methylformamide.
Referemce:
Amide – Wikipedia,
Amide – an overview | ScienceDirect Topics